Common name
ethylsulfanylbenzene
IUPAC name
ethylsulfanylbenzene
SMILES
c1(ccccc1)SCC
Common name
ethylsulfanylbenzene
IUPAC name
ethylsulfanylbenzene
SMILES
c1(ccccc1)SCC
INCHI
InChI=1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
FORMULA
C8H10S
Common name
ethylsulfanylbenzene
IUPAC name
ethylsulfanylbenzene
Molecular weight
138.230
clogP
2.739
clogS
-2.514
Frequency
0.0014
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
25.3
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00108 | Nelfinavir |
|
Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used in combination with other antiviral drugs in the treatment of HIV in both adults and children. |
| FDBD01625 | Captodiame |
|
Nervous System; Anxiolytics; Psycholeptics; Diphenylmethane Derivatives; | Captodiame is indicated for the treatment of anxiety. |
| FDBD01899 | EMPC |
|
Insecticide | Insecticide |
| FDBD02425 | benzofluor |
|
Herbicide | Herbicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5alx_ligand_2_0.mol2 | 5alx | 1 | -7.02 | c1(ccccc1)SCC | 9 |
| 2r5q_ligand_3_117.mol2 | 2r5q | 1 | -6.57 | C(C)Sc1ccccc1 | 9 |
| 2q64_ligand_3_117.mol2 | 2q64 | 1 | -6.56 | CCSc1ccccc1 | 9 |
| 2pyn_ligand_3_117.mol2 | 2pyn | 1 | -6.52 | S(c1ccccc1)CC | 9 |
| 2q63_ligand_3_117.mol2 | 2q63 | 1 | -6.51 | C(C)Sc1ccccc1 | 9 |
| 2pym_ligand_3_117.mol2 | 2pym | 1 | -6.49 | CCSc1ccccc1 | 9 |
| 4ieh_ligand_3_138.mol2 | 4ieh | 1 | -6.49 | C(C)Sc1ccccc1 | 9 |
| 3ekx_ligand_3_83.mol2 | 3ekx | 1 | -6.48 | CCSc1ccccc1 | 9 |
101 ,
11
